REMARK  Name = BDB028513
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.077  -0.908   0.361  0.00  0.00    +0.138 C 
ENDROOT
BRANCH   1   8
ATOM      2  C   LIG    1        6.645   1.185  -0.075  0.00  0.00    +0.041 C 
ATOM      3  C   LIG    1        5.163   1.268  -0.456  0.00  0.00    +0.066 C 
ATOM      4  C   LIG    1        4.354   2.016   0.619  0.00  0.00    +0.053 C 
ATOM      5  C   LIG    1        3.742   1.053   1.625  0.00  0.00    +0.112 C 
ATOM      6  N   LIG    1        2.840   0.099   0.983  0.00  0.00    -0.285 N 
ATOM      7  C   LIG    1        2.065  -0.681   1.808  0.00  0.00    +0.302 C 
ATOM      8  N   LIG    1        1.107  -1.471   1.242  0.00  0.00    -0.297 N 
ATOM      9  H   LIG    1        0.706  -2.018   1.996  0.00  0.00    +0.150 HD
ATOM     10  O   LIG    1        2.194  -0.718   3.029  0.00  0.00    -0.253 OA
ATOM     11  C   LIG    1        3.110  -0.213  -0.425  0.00  0.00    +0.112 C 
ATOM     12  C   LIG    1        4.605  -0.141  -0.731  0.00  0.00    +0.053 C 
BRANCH   3  13
ATOM     13  O   LIG    1        5.072   2.041  -1.660  0.00  0.00    -0.389 OA
ATOM     14  H   LIG    1        5.670   1.650  -2.321  0.00  0.00    +0.210 HD
ENDBRANCH   3  13
ENDBRANCH   1   8
BRANCH   1  15
ATOM     15  C   LIG    1       -0.601  -2.013  -0.454  0.00  0.00    +0.146 C 
BRANCH  15  16
ATOM     16  O   LIG    1        0.425  -2.802  -1.084  0.00  0.00    -0.389 OA
ATOM     17  H   LIG    1        1.117  -2.924  -0.405  0.00  0.00    +0.210 HD
ENDBRANCH  15  16
BRANCH  15  18
ATOM     18  C   LIG    1       -1.546  -1.495  -1.562  0.00  0.00    +0.117 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -2.748  -0.725  -1.228  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1       -3.580  -1.333  -0.184  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1       -4.833  -0.539   0.127  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1       -4.949   0.811  -0.252  0.00  0.00    -0.042 A 
ATOM     23  C   LIG    1       -6.106   1.530   0.074  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -7.133   0.921   0.794  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -7.015  -0.410   1.188  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.858   1.462  -1.066  0.00  0.00    +0.051 C 
ATOM     27  C   LIG    1       -5.870  -1.136   0.858  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -2.527   0.699  -0.981  0.00  0.00    +0.089 C 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 6